2,4-Diisocyanato-1-methylbenzene;ethane-1,2-diol;hexanedioic acid
TL;DR: 2,4-Diisocyanato-1-methylbenzene;ethane-1,2-diol;hexanedioic acid (CAS 83890-02-2) is a chemical compound with molecular formula C17H22N2O8 and molecular weight 382.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-diisocyanato-1-methylbenzene;ethane-1,2-diol;hexanedioic acid
Also Known As: (C9-H6-N2-O2.C6-H10-O4.C2-H6-O2)x-, 2,4-diisocyanato-1-methylbenzene; ethane-1,2-diol; hexanedioic acid, adipic acid; 2,4-diisocyanato-1-methyl-benzene; ethylene glycol, Hexanedioic acid, polymer with 2,4-diisocyanato-1-methylbenzene and 1,2-ethanediol, Hexanedioic acid, polymer with 2,4-diisocyanato-1-methylbenzene and1,2-ethanediol
| Molecular Formula | C17H22N2O8 |
|---|---|
| Molecular Weight | 382.14 g/mol |
| LogP | 1.61662 |
| Topological Polar Surface Area | 174.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 382.1376 |
| Heavy Atoms | 27 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 83890-02-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N=C=O)N=C=O.C(CCC(=O)O)CC(=O)O.C(CO)O |
| InChIKey | ZNXFMFFAROLRPN-UHFFFAOYSA-N |
Product Overview
2,4-Diisocyanato-1-methylbenzene;ethane-1,2-diol;hexanedioic acid (CAS 83890-02-2), with molecular formula C17H22N2O8 and molecular weight 382.14 g/mol. IUPAC: 2,4-diisocyanato-1-methylbenzene;ethane-1,2-diol;hexanedioic acid.
Chemical Property Profile of 2,4-Diisocyanato-1-methylbenzene;ethane-1,2-diol;hexanedioic acid
Property Insights of 2,4-Diisocyanato-1-methylbenzene;ethane-1,2-diol;hexanedioic acid
The XLogP value of 1.61662 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Diisocyanato-1-methylbenzene;ethane-1,2-diol;hexanedioic acid. The TPSA of 174.0 Ų indicates high polarity, suggesting 2,4-Diisocyanato-1-methylbenzene;ethane-1,2-diol;hexanedioic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,4-Diisocyanato-1-methylbenzene;ethane-1,2-diol;hexanedioic acid has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,4-Diisocyanato-1-methylbenzene;ethane-1,2-diol;hexanedioic acid?
The CAS number of 2,4-Diisocyanato-1-methylbenzene;ethane-1,2-diol;hexanedioic acid is 83890-02-2.
What is the molecular formula of 2,4-Diisocyanato-1-methylbenzene;ethane-1,2-diol;hexanedioic acid?
The molecular formula of 2,4-Diisocyanato-1-methylbenzene;ethane-1,2-diol;hexanedioic acid is C17H22N2O8.
What is the molecular weight of 2,4-Diisocyanato-1-methylbenzene;ethane-1,2-diol;hexanedioic acid?
The molecular weight of 2,4-Diisocyanato-1-methylbenzene;ethane-1,2-diol;hexanedioic acid is 382.14 g/mol.
Where can I buy 2,4-Diisocyanato-1-methylbenzene;ethane-1,2-diol;hexanedioic acid?
You can request a quote for 2,4-Diisocyanato-1-methylbenzene;ethane-1,2-diol;hexanedioic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Diisocyanato-1-methylbenzene;ethane-1,2-diol;hexanedioic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Diisocyanato-1-methylbenzene;ethane-1,2-diol;hexanedioic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.